VelocityVerlet

The VelocityVerlet integrator implements the velocity Verlet algorithm for simulating particles in the NVE ensemble. This integrator is a wrapper around the UAMMD VerletNVE integrator.

For more details on the underlying method, please refer to the UAMMD VerletNVE documentation.

---

• type: Verlet, VelocityVerlet

• parameters:

  • timeStep: real: Time step \([time]\)

  • temperature: real: Initial temperature for velocity initialization \([temperature]\)

Example:

"velocityVerlet":{
  "type":["Verlet","VelocityVerlet"],
  "parameters":{
    "timeStep": 0.01,
    "temperature": 1.0
  }
}

Note

The temperature parameter is only used for initializing velocities at the start of the simulation if they are not already set.